4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide

C26H33BrN2O4Si — CID 167616389

IUPAC4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)c3c(c2)NC(=O)C32CCC(O[Si](C)(C)C(C)(C)C)C2)cc1
InChIInChI=1S/C26H33BrN2O4Si/c1-25(2,3)34(5,6)33-19-11-12-26(15-19)22-20(27)13-16(14-21(22)29-24(26)31)23(30)28-17-7-9-18(32-4)10-8-17/h7-10,13-14,19H,11-12,15H2,1-6H3,(H,28,30)(H,29,31)
InChIKeyLUNKMTFVRITYAS-UHFFFAOYSA-N
MW545.55 g/mol
LogP6.47
Rot. Bonds5

About 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide

4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide (PubChem CID 167616389) has the molecular formula C26H33BrN2O4Si and a molecular weight of 545.55 g/mol. Its IUPAC name is 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide.

Molecular Properties

Compound Name4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide
PubChem CID167616389
Molecular FormulaC26H33BrN2O4Si
Molecular Weight545.55 g/mol
Exact Mass544.14
IUPAC Name4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)c3c(c2)NC(=O)C32CCC(O[Si](C)(C)C(C)(C)C)C2)cc1
InChIInChI=1S/C26H33BrN2O4Si/c1-25(2,3)34(5,6)33-19-11-12-26(15-19)22-20(27)13-16(14-21(22)29-24(26)31)23(30)28-17-7-9-18(32-4)10-8-17/h7-10,13-14,19H,11-12,15H2,1-6H3,(H,28,30)(H,29,31)
InChIKeyLUNKMTFVRITYAS-UHFFFAOYSA-N
XLogP6.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.55
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide
CID 156789585
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide
CID 1417940
4-bromo-N-(4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1127122
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
1'-acetyl-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-6-carboxamide
CID 156789524

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide?
The IUPAC name of 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide (CID 167616389) is 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide.
What is the SMILES notation for 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide?
The canonical SMILES for 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide is COc1ccc(NC(=O)c2cc(Br)c3c(c2)NC(=O)C32CCC(O[Si](C)(C)C(C)(C)C)C2)cc1.
What is the InChIKey of 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide?
The InChIKey is LUNKMTFVRITYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33BrN2O4Si/c1-25(2,3)34(5,6)33-19-11-12-26(15-19)22-20(27)13-16(14-21(22)29-24(26)31)23(30)28-17-7-9-18(32-4)10-8-17/h7-10,13-14,19H,11-12,15H2,1-6H3,(H,28,30)(H,29,31).
What are the key properties of 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide?
4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide has a molecular weight of 545.55 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide is sourced from PubChem (CID 167616389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).